5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide

C21H19N5O2 — CID 109293839

IUPAC5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H19N5O2/c1-14(2)28-19-9-4-3-8-17(19)26-21(27)18-12-24-20(13-23-18)25-16-7-5-6-15(10-16)11-22/h3-10,12-14H,1-2H3,(H,24,25)(H,26,27)
InChIKeySZXACZQVDCALGV-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.13
Rot. Bonds6

About 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide

5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 109293839) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID109293839
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cnc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H19N5O2/c1-14(2)28-19-9-4-3-8-17(19)26-21(27)18-12-24-20(13-23-18)25-16-7-5-6-15(10-16)11-22/h3-10,12-14H,1-2H3,(H,24,25)(H,26,27)
InChIKeySZXACZQVDCALGV-UHFFFAOYSA-N
XLogP4.13
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359156
5-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293748
5-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293616
5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293832
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109292172
N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
CID 109294627
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
CID 38999846
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558
N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109287332
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112850714

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 109293839) is 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cnc(Nc2cccc(C#N)c2)cn1.
What is the InChIKey of 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is SZXACZQVDCALGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14(2)28-19-9-4-3-8-17(19)26-21(27)18-12-24-20(13-23-18)25-16-7-5-6-15(10-16)11-22/h3-10,12-14H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109293839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).